SCHEMBL7288124

SCHEMBL7288124

CC(C)C[C@H]1[C@H](CC(=O)O)OC(C)(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.34
ATM Q13315 1/20 0.31
HCRTR2 O43614 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9698372 0.87 SPHK1 (0.33) SPHK1ATM
SCHEMBL13114353 0.85 SPHK1 (0.34) SPHK1HCRTR2
SCHEMBL8270847 0.85 SPHK1 (0.34) SPHK1HCRTR2
SCHEMBL8270852 0.84 SPHK1 (0.38) SPHK1HCRTR2
SCHEMBL7287745 0.84 SPHK1 (0.34) SPHK1HCRTR2
SCHEMBL8270858 0.84 SPHK1 (0.34) SPHK1HCRTR2
SCHEMBL13114343 0.84 SPHK1 (0.34) SPHK1HCRTR2
SCHEMBL7284149 0.83 SPHK1 (0.33) SPHK1HCRTR2
SCHEMBL8145278 0.81 SPHK1 (0.35) SPHK1ATMHCRTR2
SCHEMBL8112146 0.81 SPHK1 (0.35) SPHK1ATMHCRTR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0264106-B1 5-Substituted amino-4-hydroxy-pentanoic acid derivatives and their use BANYU PHARMA CO LTD (JP) 1994-03-16 EP disclosed
US-4851387-A RENIN INHIBITORS BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-07-25 US disclosed
EP-0264106-A2 5-Substituted amino-4-hydroxy-pentanoic acid derivatives and their use Banyu Pharmaceutical Co., Ltd. (JP) 1988-04-20 EP disclosed